The design of green energy materials from ab initio calculations

来源 :第十二届国际凝聚态理论与计算材料学会议(The 12th International Conference on Con | 被引量 : 0次 | 上传用户:b329066975
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  functional materials have been widely studied on the experimental side.In order to further optimize the properties of such kind of materials,it is great necessary to explore the intrinsic mechanism of the complex fabricating process at atomic level.In this talk,I will show our recent studies on the functional materials [1-4],such as Ti02 and graphene oxides,by ab initio calculations,and such studies greatly advance our understanding of their structures and properties.
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